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DENOPTIM
Static Public Member Functions | List of all members
denoptim.molecularmodeling.MMBuilderUtils Class Reference

Utilities for molecular models builder. More...

Static Public Member Functions

static void readKeyFileParams (String filename, ArrayList< String > data) throws DENOPTIMException
 Read the parameter settings to be used by PSSROT. More...
 
static int countLinesWKeywordInFile (String filename, String keyword) throws DENOPTIMException
 Count the number of lines starting with a keyword. More...
 

Detailed Description

Utilities for molecular models builder.

Author
Vishwesh Venkatraman
Marco Foscato

Definition at line 36 of file MMBuilderUtils.java.

Member Function Documentation

◆ countLinesWKeywordInFile()

static int denoptim.molecularmodeling.MMBuilderUtils.countLinesWKeywordInFile ( String  filename,
String  keyword 
) throws DENOPTIMException
static

Count the number of lines starting with a keyword.

Parameters
filename
keyword
Returns
number of lines in the file
Exceptions
DENOPTIMException

Definition at line 99 of file MMBuilderUtils.java.

Referenced by denoptim.integration.tinker.TinkerUtils.getNameLastCycleFile().

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◆ readKeyFileParams()

static void denoptim.molecularmodeling.MMBuilderUtils.readKeyFileParams ( String  filename,
ArrayList< String >  data 
) throws DENOPTIMException
static

Read the parameter settings to be used by PSSROT.

Parameters
filename
datacontent of file (lines)
Exceptions
DENOPTIMException

Definition at line 48 of file MMBuilderUtils.java.

Referenced by denoptim.programs.moldecularmodelbuilder.MMBuilderParameters.processParameters().

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The documentation for this class was generated from the following file: